3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide

Systemtic Name: 3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide Openeye Name: 3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide CAS Name: 3-[3-(1-methyl-2-pyrrolyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide IUPAC Name: 3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN1C=CC=C1C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N7O3/c1-28-13-4-8-16(28)20-24-18(31-27-20)10-9-17(29)22-11-5-12-23-19-14-6-2-3-7-15(14)21(30)26-25-19/h2-4,6-8,13H,5,9-12H2,1H3,(H,22,29)(H,23,25)(H,26,30)